data_34696 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34696 _Entry.Title ; Llp mutant C1G, lytic conversion lipoprotein of phage T5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-16 _Entry.Accession_date 2021-12-16 _Entry.Last_release_date 2022-01-11 _Entry.Original_release_date 2022-01-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Degroux S. . . . 34696 2 E. Mestdach E. . . . 34696 3 C. Vives C. . . . 34696 4 A. 'Le Roy' A. . . . 34696 5 L. Salmon L. . . . 34696 6 T. Herrman T. . . . 34696 7 C. Breyton C. . . . 34696 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Periplasmic protein' . 34696 'Phage protein' . 34696 'Soluble of acylated WT protein STRUCTURE FROM UNIO' . 34696 'UNIO VERSION 2.9.5' . 34696 'VIRAL PROTEIN' . 34696 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34696 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 151 34696 '15N chemical shifts' 55 34696 '1H chemical shifts' 296 34696 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-01-02 . original BMRB . 34696 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QJF 'BMRB Entry Tracking System' 34696 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34696 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Llp mutant C1G, lytic conversion lipoprotein of phage T5 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Degroux S. . . . 34696 1 2 E. Mestdach E. . . . 34696 1 3 C. Vives C. . . . 34696 1 4 A. 'Le Roy' A. . . . 34696 1 5 L. Salmon L. . . . 34696 1 6 T. Herrman T. . . . 34696 1 7 C. Breyton C. . . . 34696 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34696 _Assembly.ID 1 _Assembly.Name 'Lytic conversion lipoprotein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34696 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34696 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTFGPKDIKCEAYYMQDHV KYKANVFDRKGDMFLVSPIM AYGSFWAPVSYFTEGNTCEG VF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7052.991 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Mutated version of the lytic conversion lipoprotein produced from a MBP-Llp fusion protein with TEV cleavage site. The mature protein results in the same protein sequence as the WT protein, with a Glycine in amino acide +1 in place of the acylated cysteine. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34696 1 2 . SER . 34696 1 3 . THR . 34696 1 4 . PHE . 34696 1 5 . GLY . 34696 1 6 . PRO . 34696 1 7 . LYS . 34696 1 8 . ASP . 34696 1 9 . ILE . 34696 1 10 . LYS . 34696 1 11 . CYS . 34696 1 12 . GLU . 34696 1 13 . ALA . 34696 1 14 . TYR . 34696 1 15 . TYR . 34696 1 16 . MET . 34696 1 17 . GLN . 34696 1 18 . ASP . 34696 1 19 . HIS . 34696 1 20 . VAL . 34696 1 21 . LYS . 34696 1 22 . TYR . 34696 1 23 . LYS . 34696 1 24 . ALA . 34696 1 25 . ASN . 34696 1 26 . VAL . 34696 1 27 . PHE . 34696 1 28 . ASP . 34696 1 29 . ARG . 34696 1 30 . LYS . 34696 1 31 . GLY . 34696 1 32 . ASP . 34696 1 33 . MET . 34696 1 34 . PHE . 34696 1 35 . LEU . 34696 1 36 . VAL . 34696 1 37 . SER . 34696 1 38 . PRO . 34696 1 39 . ILE . 34696 1 40 . MET . 34696 1 41 . ALA . 34696 1 42 . TYR . 34696 1 43 . GLY . 34696 1 44 . SER . 34696 1 45 . PHE . 34696 1 46 . TRP . 34696 1 47 . ALA . 34696 1 48 . PRO . 34696 1 49 . VAL . 34696 1 50 . SER . 34696 1 51 . TYR . 34696 1 52 . PHE . 34696 1 53 . THR . 34696 1 54 . GLU . 34696 1 55 . GLY . 34696 1 56 . ASN . 34696 1 57 . THR . 34696 1 58 . CYS . 34696 1 59 . GLU . 34696 1 60 . GLY . 34696 1 61 . VAL . 34696 1 62 . PHE . 34696 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34696 1 . SER 2 2 34696 1 . THR 3 3 34696 1 . PHE 4 4 34696 1 . GLY 5 5 34696 1 . PRO 6 6 34696 1 . LYS 7 7 34696 1 . ASP 8 8 34696 1 . ILE 9 9 34696 1 . LYS 10 10 34696 1 . CYS 11 11 34696 1 . GLU 12 12 34696 1 . ALA 13 13 34696 1 . TYR 14 14 34696 1 . TYR 15 15 34696 1 . MET 16 16 34696 1 . GLN 17 17 34696 1 . ASP 18 18 34696 1 . HIS 19 19 34696 1 . VAL 20 20 34696 1 . LYS 21 21 34696 1 . TYR 22 22 34696 1 . LYS 23 23 34696 1 . ALA 24 24 34696 1 . ASN 25 25 34696 1 . VAL 26 26 34696 1 . PHE 27 27 34696 1 . ASP 28 28 34696 1 . ARG 29 29 34696 1 . LYS 30 30 34696 1 . GLY 31 31 34696 1 . ASP 32 32 34696 1 . MET 33 33 34696 1 . PHE 34 34 34696 1 . LEU 35 35 34696 1 . VAL 36 36 34696 1 . SER 37 37 34696 1 . PRO 38 38 34696 1 . ILE 39 39 34696 1 . MET 40 40 34696 1 . ALA 41 41 34696 1 . TYR 42 42 34696 1 . GLY 43 43 34696 1 . SER 44 44 34696 1 . PHE 45 45 34696 1 . TRP 46 46 34696 1 . ALA 47 47 34696 1 . PRO 48 48 34696 1 . VAL 49 49 34696 1 . SER 50 50 34696 1 . TYR 51 51 34696 1 . PHE 52 52 34696 1 . THR 53 53 34696 1 . GLU 54 54 34696 1 . GLY 55 55 34696 1 . ASN 56 56 34696 1 . THR 57 57 34696 1 . CYS 58 58 34696 1 . GLU 59 59 34696 1 . GLY 60 60 34696 1 . VAL 61 61 34696 1 . PHE 62 62 34696 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34696 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2695836 organism . 'Escherichia phage T5' 'Escherichia phage T5' . . Viruses . Tequintavirus 'Escherichia phage T5' . . . . . . . . . . . 'llp, T5.158, T5p154' . 34696 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34696 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . C43 . plasmid . . pMAL-p2E . . . 34696 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34696 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM no Tris, 75 mM no NaCl, 1.024 mM 13C 15N Sol-Llp, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tris 'natural abundance' . . . . . . 25 . . mM 0.2 . . . 34696 1 2 NaCl 'natural abundance' . . . . . . 75 . . mM 0.2 . . . 34696 1 3 Sol-Llp '[U-13C; U-15N]' . . 1 $entity_1 . . 1.024 . . mM 0.02 . . . 34696 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34696 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 75 . mM 34696 1 pH 6.5 . pH 34696 1 pressure 1 . atm 34696 1 temperature 303 . K 34696 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34696 _Software.ID 1 _Software.Type . _Software.Name UNIO _Software.Version 2.9.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 34696 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34696 1 'data analysis' . 34696 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34696 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34696 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34696 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34696 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 34696 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34696 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34696 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34696 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34696 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34696 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34696 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34696 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 34696 1 2 NMR_spectrometer_2 Bruker AVANCE . 1000 . . . 34696 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34696 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34696 1 2 '3D 1H-13C TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34696 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 8 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 9 HAHBNH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 10 HAHB(CO)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 11 '2D 15N-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34696 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34696 1 13 '3D 1H-15N-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34696 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34696 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34696 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34696 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34696 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34696 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY aliphatic' . . . 34696 1 2 '3D 1H-13C TOCSY' . . . 34696 1 3 '3D HNCO' . . . 34696 1 4 '3D HN(CA)CO' . . . 34696 1 5 '3D HNCA' . . . 34696 1 6 '3D HN(CO)CA' . . . 34696 1 7 '3D HNCACB' . . . 34696 1 8 '3D HN(COCA)CB' . . . 34696 1 9 HAHBNH . . . 34696 1 10 HAHB(CO)NH . . . 34696 1 11 '2D 15N-HSQC' . . . 34696 1 12 '3D 1H-13C NOESY aromatic' . . . 34696 1 13 '3D 1H-15N-13C NOESY' . . . 34696 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 4.731 0.00 . 1 . . . . A 1 GLY HA2 . 34696 1 2 . 1 . 1 1 1 GLY HA3 H 1 2.939 0.00 . 1 . . . . A 1 GLY HA3 . 34696 1 3 . 1 . 1 1 1 GLY CA C 13 43.521 0.00 . 1 . . . . A 1 GLY CA . 34696 1 4 . 1 . 1 2 2 SER H H 1 8.486 0.00 . 1 . . . . A 2 SER H . 34696 1 5 . 1 . 1 2 2 SER HA H 1 4.467 0.00 . 1 . . . . A 2 SER HA . 34696 1 6 . 1 . 1 2 2 SER HB2 H 1 3.709 0.00 . 2 . . . . A 2 SER HB2 . 34696 1 7 . 1 . 1 2 2 SER HB3 H 1 3.709 0.00 . 2 . . . . A 2 SER HB3 . 34696 1 8 . 1 . 1 2 2 SER CA C 13 58.043 0.00 . 1 . . . . A 2 SER CA . 34696 1 9 . 1 . 1 2 2 SER CB C 13 63.386 0.00 . 1 . . . . A 2 SER CB . 34696 1 10 . 1 . 1 2 2 SER N N 15 116.586 0.00 . 1 . . . . A 2 SER N . 34696 1 11 . 1 . 1 3 3 THR H H 1 7.824 0.00 . 1 . . . . A 3 THR H . 34696 1 12 . 1 . 1 3 3 THR HA H 1 4.410 0.00 . 1 . . . . A 3 THR HA . 34696 1 13 . 1 . 1 3 3 THR HB H 1 1.228 0.00 . 1 . . . . A 3 THR HB . 34696 1 14 . 1 . 1 3 3 THR CA C 13 61.441 0.00 . 1 . . . . A 3 THR CA . 34696 1 15 . 1 . 1 3 3 THR CB C 13 69.649 0.00 . 1 . . . . A 3 THR CB . 34696 1 16 . 1 . 1 3 3 THR N N 15 115.681 0.00 . 1 . . . . A 3 THR N . 34696 1 17 . 1 . 1 4 4 PHE H H 1 7.971 0.00 . 1 . . . . A 4 PHE H . 34696 1 18 . 1 . 1 4 4 PHE HA H 1 4.630 0.00 . 1 . . . . A 4 PHE HA . 34696 1 19 . 1 . 1 4 4 PHE HB2 H 1 2.774 0.00 . 2 . . . . A 4 PHE HB2 . 34696 1 20 . 1 . 1 4 4 PHE HB3 H 1 2.774 0.00 . 2 . . . . A 4 PHE HB3 . 34696 1 21 . 1 . 1 4 4 PHE CA C 13 56.830 0.00 . 1 . . . . A 4 PHE CA . 34696 1 22 . 1 . 1 4 4 PHE CB C 13 41.140 0.00 . 1 . . . . A 4 PHE CB . 34696 1 23 . 1 . 1 4 4 PHE N N 15 121.975 0.00 . 1 . . . . A 4 PHE N . 34696 1 24 . 1 . 1 5 5 GLY H H 1 9.116 0.00 . 1 . . . . A 5 GLY H . 34696 1 25 . 1 . 1 5 5 GLY HA2 H 1 3.918 0.00 . 2 . . . . A 5 GLY HA2 . 34696 1 26 . 1 . 1 5 5 GLY HA3 H 1 3.918 0.00 . 2 . . . . A 5 GLY HA3 . 34696 1 27 . 1 . 1 5 5 GLY CA C 13 44.028 0.00 . 1 . . . . A 5 GLY CA . 34696 1 28 . 1 . 1 5 5 GLY N N 15 109.924 0.00 . 1 . . . . A 5 GLY N . 34696 1 29 . 1 . 1 6 6 PRO HA H 1 4.204 0.00 . 1 . . . . A 6 PRO HA . 34696 1 30 . 1 . 1 6 6 PRO HB2 H 1 2.353 0.00 . 2 . . . . A 6 PRO HB2 . 34696 1 31 . 1 . 1 6 6 PRO HB3 H 1 2.353 0.00 . 2 . . . . A 6 PRO HB3 . 34696 1 32 . 1 . 1 6 6 PRO HG2 H 1 1.745 0.00 . 1 . . . . A 6 PRO HG2 . 34696 1 33 . 1 . 1 6 6 PRO HG3 H 1 1.099 0.00 . 1 . . . . A 6 PRO HG3 . 34696 1 34 . 1 . 1 6 6 PRO CA C 13 64.633 0.00 . 1 . . . . A 6 PRO CA . 34696 1 35 . 1 . 1 6 6 PRO CB C 13 31.497 0.00 . 1 . . . . A 6 PRO CB . 34696 1 36 . 1 . 1 6 6 PRO CG C 13 26.845 0.00 . 1 . . . . A 6 PRO CG . 34696 1 37 . 1 . 1 7 7 LYS H H 1 8.423 0.00 . 1 . . . . A 7 LYS H . 34696 1 38 . 1 . 1 7 7 LYS HA H 1 4.244 0.00 . 1 . . . . A 7 LYS HA . 34696 1 39 . 1 . 1 7 7 LYS HB2 H 1 1.887 0.00 . 1 . . . . A 7 LYS HB2 . 34696 1 40 . 1 . 1 7 7 LYS HB3 H 1 1.824 0.00 . 1 . . . . A 7 LYS HB3 . 34696 1 41 . 1 . 1 7 7 LYS HG2 H 1 1.854 0.00 . 1 . . . . A 7 LYS HG2 . 34696 1 42 . 1 . 1 7 7 LYS HG3 H 1 1.395 0.00 . 1 . . . . A 7 LYS HG3 . 34696 1 43 . 1 . 1 7 7 LYS CA C 13 57.162 0.00 . 1 . . . . A 7 LYS CA . 34696 1 44 . 1 . 1 7 7 LYS CB C 13 31.329 0.00 . 1 . . . . A 7 LYS CB . 34696 1 45 . 1 . 1 7 7 LYS CG C 13 24.376 0.00 . 1 . . . . A 7 LYS CG . 34696 1 46 . 1 . 1 7 7 LYS N N 15 116.538 0.00 . 1 . . . . A 7 LYS N . 34696 1 47 . 1 . 1 8 8 ASP H H 1 8.118 0.00 . 1 . . . . A 8 ASP H . 34696 1 48 . 1 . 1 8 8 ASP HA H 1 4.716 0.00 . 1 . . . . A 8 ASP HA . 34696 1 49 . 1 . 1 8 8 ASP HB2 H 1 3.054 0.00 . 2 . . . . A 8 ASP HB2 . 34696 1 50 . 1 . 1 8 8 ASP HB3 H 1 3.054 0.00 . 2 . . . . A 8 ASP HB3 . 34696 1 51 . 1 . 1 8 8 ASP CA C 13 54.641 0.00 . 1 . . . . A 8 ASP CA . 34696 1 52 . 1 . 1 8 8 ASP CB C 13 42.054 0.00 . 1 . . . . A 8 ASP CB . 34696 1 53 . 1 . 1 8 8 ASP N N 15 117.928 0.00 . 1 . . . . A 8 ASP N . 34696 1 54 . 1 . 1 9 9 ILE H H 1 7.223 0.00 . 1 . . . . A 9 ILE H . 34696 1 55 . 1 . 1 9 9 ILE HA H 1 2.985 0.00 . 1 . . . . A 9 ILE HA . 34696 1 56 . 1 . 1 9 9 ILE HB H 1 1.595 0.00 . 1 . . . . A 9 ILE HB . 34696 1 57 . 1 . 1 9 9 ILE HG12 H 1 0.345 0.00 . 1 . . . . A 9 ILE HG12 . 34696 1 58 . 1 . 1 9 9 ILE HG13 H 1 1.767 0.00 . 1 . . . . A 9 ILE HG13 . 34696 1 59 . 1 . 1 9 9 ILE HG21 H 1 0.600 0.00 . 1 . . . . A 9 ILE HG21 . 34696 1 60 . 1 . 1 9 9 ILE HG22 H 1 0.600 0.00 . 1 . . . . A 9 ILE HG22 . 34696 1 61 . 1 . 1 9 9 ILE HG23 H 1 0.600 0.00 . 1 . . . . A 9 ILE HG23 . 34696 1 62 . 1 . 1 9 9 ILE HD11 H 1 0.836 0.00 . 1 . . . . A 9 ILE HD11 . 34696 1 63 . 1 . 1 9 9 ILE HD12 H 1 0.836 0.00 . 1 . . . . A 9 ILE HD12 . 34696 1 64 . 1 . 1 9 9 ILE HD13 H 1 0.836 0.00 . 1 . . . . A 9 ILE HD13 . 34696 1 65 . 1 . 1 9 9 ILE CA C 13 63.596 0.00 . 1 . . . . A 9 ILE CA . 34696 1 66 . 1 . 1 9 9 ILE CB C 13 38.326 0.00 . 1 . . . . A 9 ILE CB . 34696 1 67 . 1 . 1 9 9 ILE CG1 C 13 29.201 0.00 . 1 . . . . A 9 ILE CG1 . 34696 1 68 . 1 . 1 9 9 ILE CG2 C 13 17.331 0.00 . 1 . . . . A 9 ILE CG2 . 34696 1 69 . 1 . 1 9 9 ILE CD1 C 13 13.641 0.00 . 1 . . . . A 9 ILE CD1 . 34696 1 70 . 1 . 1 9 9 ILE N N 15 120.581 0.00 . 1 . . . . A 9 ILE N . 34696 1 71 . 1 . 1 10 10 LYS H H 1 8.294 0.00 . 1 . . . . A 10 LYS H . 34696 1 72 . 1 . 1 10 10 LYS HA H 1 4.279 0.00 . 1 . . . . A 10 LYS HA . 34696 1 73 . 1 . 1 10 10 LYS HB2 H 1 1.504 0.00 . 1 . . . . A 10 LYS HB2 . 34696 1 74 . 1 . 1 10 10 LYS HB3 H 1 1.449 0.00 . 1 . . . . A 10 LYS HB3 . 34696 1 75 . 1 . 1 10 10 LYS HD2 H 1 2.266 0.00 . 1 . . . . A 10 LYS HD2 . 34696 1 76 . 1 . 1 10 10 LYS HD3 H 1 2.044 0.00 . 1 . . . . A 10 LYS HD3 . 34696 1 77 . 1 . 1 10 10 LYS HE3 H 1 2.802 0.00 . 1 . . . . A 10 LYS HE3 . 34696 1 78 . 1 . 1 10 10 LYS CA C 13 55.861 0.00 . 1 . . . . A 10 LYS CA . 34696 1 79 . 1 . 1 10 10 LYS CB C 13 33.878 0.00 . 1 . . . . A 10 LYS CB . 34696 1 80 . 1 . 1 10 10 LYS CD C 13 28.582 0.00 . 1 . . . . A 10 LYS CD . 34696 1 81 . 1 . 1 10 10 LYS CE C 13 39.314 0.00 . 1 . . . . A 10 LYS CE . 34696 1 82 . 1 . 1 10 10 LYS N N 15 127.194 0.00 . 1 . . . . A 10 LYS N . 34696 1 83 . 1 . 1 11 11 CYS H H 1 7.618 0.00 . 1 . . . . A 11 CYS H . 34696 1 84 . 1 . 1 11 11 CYS HA H 1 4.370 0.00 . 1 . . . . A 11 CYS HA . 34696 1 85 . 1 . 1 11 11 CYS HB2 H 1 2.967 0.00 . 2 . . . . A 11 CYS HB2 . 34696 1 86 . 1 . 1 11 11 CYS HB3 H 1 2.967 0.00 . 2 . . . . A 11 CYS HB3 . 34696 1 87 . 1 . 1 11 11 CYS CA C 13 55.613 0.00 . 1 . . . . A 11 CYS CA . 34696 1 88 . 1 . 1 11 11 CYS CB C 13 46.417 0.00 . 1 . . . . A 11 CYS CB . 34696 1 89 . 1 . 1 11 11 CYS N N 15 111.306 0.00 . 1 . . . . A 11 CYS N . 34696 1 90 . 1 . 1 12 12 GLU H H 1 7.996 0.00 . 1 . . . . A 12 GLU H . 34696 1 91 . 1 . 1 12 12 GLU HA H 1 4.893 0.00 . 1 . . . . A 12 GLU HA . 34696 1 92 . 1 . 1 12 12 GLU HB2 H 1 1.685 0.00 . 2 . . . . A 12 GLU HB2 . 34696 1 93 . 1 . 1 12 12 GLU HB3 H 1 1.685 0.00 . 2 . . . . A 12 GLU HB3 . 34696 1 94 . 1 . 1 12 12 GLU CA C 13 54.508 0.00 . 1 . . . . A 12 GLU CA . 34696 1 95 . 1 . 1 12 12 GLU CB C 13 32.989 0.00 . 1 . . . . A 12 GLU CB . 34696 1 96 . 1 . 1 12 12 GLU N N 15 115.718 0.00 . 1 . . . . A 12 GLU N . 34696 1 97 . 1 . 1 13 13 ALA H H 1 8.296 0.00 . 1 . . . . A 13 ALA H . 34696 1 98 . 1 . 1 13 13 ALA HA H 1 4.629 0.00 . 1 . . . . A 13 ALA HA . 34696 1 99 . 1 . 1 13 13 ALA HB1 H 1 0.514 0.00 . 1 . . . . A 13 ALA HB1 . 34696 1 100 . 1 . 1 13 13 ALA HB2 H 1 0.514 0.00 . 1 . . . . A 13 ALA HB2 . 34696 1 101 . 1 . 1 13 13 ALA HB3 H 1 0.514 0.00 . 1 . . . . A 13 ALA HB3 . 34696 1 102 . 1 . 1 13 13 ALA CA C 13 50.278 0.00 . 1 . . . . A 13 ALA CA . 34696 1 103 . 1 . 1 13 13 ALA CB C 13 21.995 0.00 . 1 . . . . A 13 ALA CB . 34696 1 104 . 1 . 1 13 13 ALA N N 15 121.891 0.00 . 1 . . . . A 13 ALA N . 34696 1 105 . 1 . 1 14 14 TYR H H 1 8.807 0.00 . 1 . . . . A 14 TYR H . 34696 1 106 . 1 . 1 14 14 TYR HA H 1 6.086 0.00 . 1 . . . . A 14 TYR HA . 34696 1 107 . 1 . 1 14 14 TYR HB2 H 1 2.904 0.00 . 1 . . . . A 14 TYR HB2 . 34696 1 108 . 1 . 1 14 14 TYR HB3 H 1 2.676 0.00 . 1 . . . . A 14 TYR HB3 . 34696 1 109 . 1 . 1 14 14 TYR HD1 H 1 6.970 0.00 . 3 . . . . A 14 TYR HD1 . 34696 1 110 . 1 . 1 14 14 TYR HD2 H 1 6.970 0.00 . 3 . . . . A 14 TYR HD2 . 34696 1 111 . 1 . 1 14 14 TYR CA C 13 56.509 0.00 . 1 . . . . A 14 TYR CA . 34696 1 112 . 1 . 1 14 14 TYR CB C 13 42.662 0.00 . 1 . . . . A 14 TYR CB . 34696 1 113 . 1 . 1 14 14 TYR CD1 C 13 132.906 0.00 . 1 . . . . A 14 TYR CD1 . 34696 1 114 . 1 . 1 14 14 TYR N N 15 118.964 0.00 . 1 . . . . A 14 TYR N . 34696 1 115 . 1 . 1 15 15 TYR H H 1 8.952 0.00 . 1 . . . . A 15 TYR H . 34696 1 116 . 1 . 1 15 15 TYR HA H 1 5.207 0.00 . 1 . . . . A 15 TYR HA . 34696 1 117 . 1 . 1 15 15 TYR HB2 H 1 3.097 0.00 . 1 . . . . A 15 TYR HB2 . 34696 1 118 . 1 . 1 15 15 TYR HB3 H 1 3.022 0.00 . 1 . . . . A 15 TYR HB3 . 34696 1 119 . 1 . 1 15 15 TYR CA C 13 54.863 0.00 . 1 . . . . A 15 TYR CA . 34696 1 120 . 1 . 1 15 15 TYR CB C 13 41.403 0.00 . 1 . . . . A 15 TYR CB . 34696 1 121 . 1 . 1 15 15 TYR N N 15 120.782 0.00 . 1 . . . . A 15 TYR N . 34696 1 122 . 1 . 1 16 16 MET H H 1 9.103 0.00 . 1 . . . . A 16 MET H . 34696 1 123 . 1 . 1 16 16 MET HA H 1 5.575 0.00 . 1 . . . . A 16 MET HA . 34696 1 124 . 1 . 1 16 16 MET HB2 H 1 1.947 0.00 . 2 . . . . A 16 MET HB2 . 34696 1 125 . 1 . 1 16 16 MET HB3 H 1 1.947 0.00 . 2 . . . . A 16 MET HB3 . 34696 1 126 . 1 . 1 16 16 MET HG3 H 1 2.398 0.00 . 1 . . . . A 16 MET HG3 . 34696 1 127 . 1 . 1 16 16 MET CA C 13 53.013 0.00 . 1 . . . . A 16 MET CA . 34696 1 128 . 1 . 1 16 16 MET CB C 13 34.013 0.00 . 1 . . . . A 16 MET CB . 34696 1 129 . 1 . 1 16 16 MET CG C 13 29.509 0.00 . 1 . . . . A 16 MET CG . 34696 1 130 . 1 . 1 16 16 MET N N 15 119.757 0.00 . 1 . . . . A 16 MET N . 34696 1 131 . 1 . 1 17 17 GLN H H 1 9.062 0.00 . 1 . . . . A 17 GLN H . 34696 1 132 . 1 . 1 17 17 GLN HA H 1 4.644 0.00 . 1 . . . . A 17 GLN HA . 34696 1 133 . 1 . 1 17 17 GLN HB2 H 1 2.175 0.00 . 2 . . . . A 17 GLN HB2 . 34696 1 134 . 1 . 1 17 17 GLN HB3 H 1 2.175 0.00 . 2 . . . . A 17 GLN HB3 . 34696 1 135 . 1 . 1 17 17 GLN CA C 13 55.812 0.00 . 1 . . . . A 17 GLN CA . 34696 1 136 . 1 . 1 17 17 GLN CB C 13 31.558 0.00 . 1 . . . . A 17 GLN CB . 34696 1 137 . 1 . 1 17 17 GLN N N 15 123.748 0.00 . 1 . . . . A 17 GLN N . 34696 1 138 . 1 . 1 18 18 ASP H H 1 9.372 0.00 . 1 . . . . A 18 ASP H . 34696 1 139 . 1 . 1 18 18 ASP HA H 1 4.725 0.00 . 1 . . . . A 18 ASP HA . 34696 1 140 . 1 . 1 18 18 ASP HB2 H 1 2.244 0.00 . 2 . . . . A 18 ASP HB2 . 34696 1 141 . 1 . 1 18 18 ASP HB3 H 1 2.244 0.00 . 2 . . . . A 18 ASP HB3 . 34696 1 142 . 1 . 1 18 18 ASP CA C 13 55.717 0.00 . 1 . . . . A 18 ASP CA . 34696 1 143 . 1 . 1 18 18 ASP CB C 13 39.338 0.00 . 1 . . . . A 18 ASP CB . 34696 1 144 . 1 . 1 18 18 ASP N N 15 128.629 0.00 . 1 . . . . A 18 ASP N . 34696 1 145 . 1 . 1 19 19 HIS H H 1 8.578 0.00 . 1 . . . . A 19 HIS H . 34696 1 146 . 1 . 1 19 19 HIS HA H 1 4.122 0.00 . 1 . . . . A 19 HIS HA . 34696 1 147 . 1 . 1 19 19 HIS HB2 H 1 3.514 0.00 . 1 . . . . A 19 HIS HB2 . 34696 1 148 . 1 . 1 19 19 HIS HB3 H 1 3.401 0.00 . 1 . . . . A 19 HIS HB3 . 34696 1 149 . 1 . 1 19 19 HIS CA C 13 57.663 0.00 . 1 . . . . A 19 HIS CA . 34696 1 150 . 1 . 1 19 19 HIS CB C 13 26.414 0.00 . 1 . . . . A 19 HIS CB . 34696 1 151 . 1 . 1 19 19 HIS N N 15 107.486 0.00 . 1 . . . . A 19 HIS N . 34696 1 152 . 1 . 1 20 20 VAL H H 1 7.879 0.00 . 1 . . . . A 20 VAL H . 34696 1 153 . 1 . 1 20 20 VAL HA H 1 4.151 0.00 . 1 . . . . A 20 VAL HA . 34696 1 154 . 1 . 1 20 20 VAL HB H 1 2.145 0.00 . 1 . . . . A 20 VAL HB . 34696 1 155 . 1 . 1 20 20 VAL HG21 H 1 0.999 0.00 . 1 . . . . A 20 VAL HG21 . 34696 1 156 . 1 . 1 20 20 VAL HG22 H 1 0.999 0.00 . 1 . . . . A 20 VAL HG22 . 34696 1 157 . 1 . 1 20 20 VAL HG23 H 1 0.999 0.00 . 1 . . . . A 20 VAL HG23 . 34696 1 158 . 1 . 1 20 20 VAL CA C 13 61.520 0.00 . 1 . . . . A 20 VAL CA . 34696 1 159 . 1 . 1 20 20 VAL CB C 13 34.126 0.00 . 1 . . . . A 20 VAL CB . 34696 1 160 . 1 . 1 20 20 VAL CG2 C 13 24.507 0.00 . 1 . . . . A 20 VAL CG2 . 34696 1 161 . 1 . 1 20 20 VAL N N 15 123.817 0.00 . 1 . . . . A 20 VAL N . 34696 1 162 . 1 . 1 21 21 LYS H H 1 8.077 0.00 . 1 . . . . A 21 LYS H . 34696 1 163 . 1 . 1 21 21 LYS HA H 1 4.829 0.00 . 1 . . . . A 21 LYS HA . 34696 1 164 . 1 . 1 21 21 LYS HB2 H 1 1.764 0.00 . 1 . . . . A 21 LYS HB2 . 34696 1 165 . 1 . 1 21 21 LYS HB3 H 1 1.540 0.00 . 1 . . . . A 21 LYS HB3 . 34696 1 166 . 1 . 1 21 21 LYS HG2 H 1 1.282 0.00 . 2 . . . . A 21 LYS HG2 . 34696 1 167 . 1 . 1 21 21 LYS HG3 H 1 1.282 0.00 . 2 . . . . A 21 LYS HG3 . 34696 1 168 . 1 . 1 21 21 LYS HD3 H 1 2.323 0.00 . 1 . . . . A 21 LYS HD3 . 34696 1 169 . 1 . 1 21 21 LYS HE3 H 1 2.613 0.00 . 1 . . . . A 21 LYS HE3 . 34696 1 170 . 1 . 1 21 21 LYS CA C 13 55.893 0.00 . 1 . . . . A 21 LYS CA . 34696 1 171 . 1 . 1 21 21 LYS CB C 13 32.932 0.00 . 1 . . . . A 21 LYS CB . 34696 1 172 . 1 . 1 21 21 LYS CG C 13 24.971 0.00 . 1 . . . . A 21 LYS CG . 34696 1 173 . 1 . 1 21 21 LYS CD C 13 28.037 0.00 . 1 . . . . A 21 LYS CD . 34696 1 174 . 1 . 1 21 21 LYS CE C 13 41.293 0.00 . 1 . . . . A 21 LYS CE . 34696 1 175 . 1 . 1 21 21 LYS N N 15 127.621 0.00 . 1 . . . . A 21 LYS N . 34696 1 176 . 1 . 1 22 22 TYR H H 1 9.171 0.00 . 1 . . . . A 22 TYR H . 34696 1 177 . 1 . 1 22 22 TYR HA H 1 4.509 0.00 . 1 . . . . A 22 TYR HA . 34696 1 178 . 1 . 1 22 22 TYR HB2 H 1 2.691 0.00 . 1 . . . . A 22 TYR HB2 . 34696 1 179 . 1 . 1 22 22 TYR HB3 H 1 1.374 0.00 . 1 . . . . A 22 TYR HB3 . 34696 1 180 . 1 . 1 22 22 TYR CA C 13 57.406 0.00 . 1 . . . . A 22 TYR CA . 34696 1 181 . 1 . 1 22 22 TYR CB C 13 41.265 0.00 . 1 . . . . A 22 TYR CB . 34696 1 182 . 1 . 1 22 22 TYR N N 15 129.702 0.00 . 1 . . . . A 22 TYR N . 34696 1 183 . 1 . 1 23 23 LYS H H 1 8.254 0.00 . 1 . . . . A 23 LYS H . 34696 1 184 . 1 . 1 23 23 LYS HA H 1 5.238 0.00 . 1 . . . . A 23 LYS HA . 34696 1 185 . 1 . 1 23 23 LYS HB2 H 1 1.729 0.00 . 2 . . . . A 23 LYS HB2 . 34696 1 186 . 1 . 1 23 23 LYS HB3 H 1 1.729 0.00 . 2 . . . . A 23 LYS HB3 . 34696 1 187 . 1 . 1 23 23 LYS CA C 13 55.070 0.00 . 1 . . . . A 23 LYS CA . 34696 1 188 . 1 . 1 23 23 LYS CB C 13 35.676 0.00 . 1 . . . . A 23 LYS CB . 34696 1 189 . 1 . 1 23 23 LYS N N 15 118.004 0.00 . 1 . . . . A 23 LYS N . 34696 1 190 . 1 . 1 24 24 ALA H H 1 9.324 0.00 . 1 . . . . A 24 ALA H . 34696 1 191 . 1 . 1 24 24 ALA HA H 1 4.811 0.00 . 1 . . . . A 24 ALA HA . 34696 1 192 . 1 . 1 24 24 ALA HB1 H 1 1.264 0.00 . 1 . . . . A 24 ALA HB1 . 34696 1 193 . 1 . 1 24 24 ALA HB2 H 1 1.264 0.00 . 1 . . . . A 24 ALA HB2 . 34696 1 194 . 1 . 1 24 24 ALA HB3 H 1 1.264 0.00 . 1 . . . . A 24 ALA HB3 . 34696 1 195 . 1 . 1 24 24 ALA CA C 13 50.023 0.00 . 1 . . . . A 24 ALA CA . 34696 1 196 . 1 . 1 24 24 ALA CB C 13 21.025 0.00 . 1 . . . . A 24 ALA CB . 34696 1 197 . 1 . 1 24 24 ALA N N 15 125.057 0.00 . 1 . . . . A 24 ALA N . 34696 1 198 . 1 . 1 25 25 ASN H H 1 7.826 0.00 . 1 . . . . A 25 ASN H . 34696 1 199 . 1 . 1 25 25 ASN HA H 1 4.535 0.00 . 1 . . . . A 25 ASN HA . 34696 1 200 . 1 . 1 25 25 ASN HB2 H 1 2.576 0.00 . 1 . . . . A 25 ASN HB2 . 34696 1 201 . 1 . 1 25 25 ASN HB3 H 1 1.985 0.00 . 1 . . . . A 25 ASN HB3 . 34696 1 202 . 1 . 1 25 25 ASN CA C 13 52.980 0.00 . 1 . . . . A 25 ASN CA . 34696 1 203 . 1 . 1 25 25 ASN CB C 13 39.633 0.00 . 1 . . . . A 25 ASN CB . 34696 1 204 . 1 . 1 25 25 ASN N N 15 120.416 0.00 . 1 . . . . A 25 ASN N . 34696 1 205 . 1 . 1 26 26 VAL H H 1 8.109 0.00 . 1 . . . . A 26 VAL H . 34696 1 206 . 1 . 1 26 26 VAL HA H 1 4.023 0.00 . 1 . . . . A 26 VAL HA . 34696 1 207 . 1 . 1 26 26 VAL HB H 1 1.718 0.00 . 1 . . . . A 26 VAL HB . 34696 1 208 . 1 . 1 26 26 VAL HG21 H 1 1.046 0.00 . 1 . . . . A 26 VAL HG21 . 34696 1 209 . 1 . 1 26 26 VAL HG22 H 1 1.046 0.00 . 1 . . . . A 26 VAL HG22 . 34696 1 210 . 1 . 1 26 26 VAL HG23 H 1 1.046 0.00 . 1 . . . . A 26 VAL HG23 . 34696 1 211 . 1 . 1 26 26 VAL CA C 13 61.603 0.00 . 1 . . . . A 26 VAL CA . 34696 1 212 . 1 . 1 26 26 VAL CB C 13 32.207 0.00 . 1 . . . . A 26 VAL CB . 34696 1 213 . 1 . 1 26 26 VAL CG2 C 13 20.290 0.00 . 1 . . . . A 26 VAL CG2 . 34696 1 214 . 1 . 1 26 26 VAL N N 15 121.666 0.00 . 1 . . . . A 26 VAL N . 34696 1 215 . 1 . 1 27 27 PHE H H 1 8.733 0.00 . 1 . . . . A 27 PHE H . 34696 1 216 . 1 . 1 27 27 PHE HA H 1 4.453 0.00 . 1 . . . . A 27 PHE HA . 34696 1 217 . 1 . 1 27 27 PHE HB2 H 1 2.588 0.00 . 1 . . . . A 27 PHE HB2 . 34696 1 218 . 1 . 1 27 27 PHE HB3 H 1 1.805 0.00 . 1 . . . . A 27 PHE HB3 . 34696 1 219 . 1 . 1 27 27 PHE HZ H 1 6.552 0.00 . 1 . . . . A 27 PHE HZ . 34696 1 220 . 1 . 1 27 27 PHE CA C 13 58.030 0.00 . 1 . . . . A 27 PHE CA . 34696 1 221 . 1 . 1 27 27 PHE CB C 13 41.092 0.00 . 1 . . . . A 27 PHE CB . 34696 1 222 . 1 . 1 27 27 PHE CZ C 13 130.884 0.00 . 1 . . . . A 27 PHE CZ . 34696 1 223 . 1 . 1 27 27 PHE N N 15 122.899 0.00 . 1 . . . . A 27 PHE N . 34696 1 224 . 1 . 1 28 28 ASP H H 1 7.408 0.00 . 1 . . . . A 28 ASP H . 34696 1 225 . 1 . 1 28 28 ASP HA H 1 4.834 0.00 . 1 . . . . A 28 ASP HA . 34696 1 226 . 1 . 1 28 28 ASP HB2 H 1 2.334 0.00 . 2 . . . . A 28 ASP HB2 . 34696 1 227 . 1 . 1 28 28 ASP HB3 H 1 2.334 0.00 . 2 . . . . A 28 ASP HB3 . 34696 1 228 . 1 . 1 28 28 ASP CA C 13 53.212 0.00 . 1 . . . . A 28 ASP CA . 34696 1 229 . 1 . 1 28 28 ASP CB C 13 43.052 0.00 . 1 . . . . A 28 ASP CB . 34696 1 230 . 1 . 1 28 28 ASP N N 15 114.978 0.00 . 1 . . . . A 28 ASP N . 34696 1 231 . 1 . 1 29 29 ARG H H 1 8.237 0.00 . 1 . . . . A 29 ARG H . 34696 1 232 . 1 . 1 29 29 ARG HA H 1 5.240 0.00 . 1 . . . . A 29 ARG HA . 34696 1 233 . 1 . 1 29 29 ARG HB2 H 1 1.046 0.00 . 1 . . . . A 29 ARG HB2 . 34696 1 234 . 1 . 1 29 29 ARG HB3 H 1 0.903 0.00 . 1 . . . . A 29 ARG HB3 . 34696 1 235 . 1 . 1 29 29 ARG HG3 H 1 2.125 0.00 . 1 . . . . A 29 ARG HG3 . 34696 1 236 . 1 . 1 29 29 ARG HD2 H 1 2.983 0.00 . 1 . . . . A 29 ARG HD2 . 34696 1 237 . 1 . 1 29 29 ARG HD3 H 1 3.517 0.00 . 1 . . . . A 29 ARG HD3 . 34696 1 238 . 1 . 1 29 29 ARG HH12 H 1 8.055 0.00 . 1 . . . . A 29 ARG HH12 . 34696 1 239 . 1 . 1 29 29 ARG CA C 13 55.070 0.00 . 1 . . . . A 29 ARG CA . 34696 1 240 . 1 . 1 29 29 ARG CB C 13 32.913 0.00 . 1 . . . . A 29 ARG CB . 34696 1 241 . 1 . 1 29 29 ARG CG C 13 26.062 0.00 . 1 . . . . A 29 ARG CG . 34696 1 242 . 1 . 1 29 29 ARG CD C 13 40.450 0.00 . 1 . . . . A 29 ARG CD . 34696 1 243 . 1 . 1 29 29 ARG N N 15 121.575 0.00 . 1 . . . . A 29 ARG N . 34696 1 244 . 1 . 1 29 29 ARG NH1 N 15 71.443 0.00 . 1 . . . . A 29 ARG NH1 . 34696 1 245 . 1 . 1 30 30 LYS H H 1 8.541 0.00 . 1 . . . . A 30 LYS H . 34696 1 246 . 1 . 1 30 30 LYS HA H 1 4.508 0.00 . 1 . . . . A 30 LYS HA . 34696 1 247 . 1 . 1 30 30 LYS HB2 H 1 1.442 0.00 . 1 . . . . A 30 LYS HB2 . 34696 1 248 . 1 . 1 30 30 LYS HB3 H 1 1.329 0.00 . 1 . . . . A 30 LYS HB3 . 34696 1 249 . 1 . 1 30 30 LYS HG2 H 1 0.484 0.00 . 1 . . . . A 30 LYS HG2 . 34696 1 250 . 1 . 1 30 30 LYS HG3 H 1 1.979 0.00 . 1 . . . . A 30 LYS HG3 . 34696 1 251 . 1 . 1 30 30 LYS HD2 H 1 2.060 0.00 . 1 . . . . A 30 LYS HD2 . 34696 1 252 . 1 . 1 30 30 LYS HD3 H 1 1.689 0.00 . 1 . . . . A 30 LYS HD3 . 34696 1 253 . 1 . 1 30 30 LYS HE2 H 1 3.316 0.00 . 1 . . . . A 30 LYS HE2 . 34696 1 254 . 1 . 1 30 30 LYS HE3 H 1 2.697 0.00 . 1 . . . . A 30 LYS HE3 . 34696 1 255 . 1 . 1 30 30 LYS CA C 13 55.035 0.00 . 1 . . . . A 30 LYS CA . 34696 1 256 . 1 . 1 30 30 LYS CB C 13 34.599 0.00 . 1 . . . . A 30 LYS CB . 34696 1 257 . 1 . 1 30 30 LYS CG C 13 27.694 0.00 . 1 . . . . A 30 LYS CG . 34696 1 258 . 1 . 1 30 30 LYS CD C 13 26.840 0.00 . 1 . . . . A 30 LYS CD . 34696 1 259 . 1 . 1 30 30 LYS CE C 13 39.420 0.00 . 1 . . . . A 30 LYS CE . 34696 1 260 . 1 . 1 30 30 LYS N N 15 128.463 0.00 . 1 . . . . A 30 LYS N . 34696 1 261 . 1 . 1 31 31 GLY H H 1 9.109 0.00 . 1 . . . . A 31 GLY H . 34696 1 262 . 1 . 1 31 31 GLY HA2 H 1 3.682 0.00 . 2 . . . . A 31 GLY HA2 . 34696 1 263 . 1 . 1 31 31 GLY HA3 H 1 3.682 0.00 . 2 . . . . A 31 GLY HA3 . 34696 1 264 . 1 . 1 31 31 GLY CA C 13 47.407 0.00 . 1 . . . . A 31 GLY CA . 34696 1 265 . 1 . 1 31 31 GLY N N 15 118.027 0.00 . 1 . . . . A 31 GLY N . 34696 1 266 . 1 . 1 32 32 ASP HA H 1 4.639 0.00 . 1 . . . . A 32 ASP HA . 34696 1 267 . 1 . 1 32 32 ASP HB2 H 1 2.748 0.00 . 2 . . . . A 32 ASP HB2 . 34696 1 268 . 1 . 1 32 32 ASP HB3 H 1 2.748 0.00 . 2 . . . . A 32 ASP HB3 . 34696 1 269 . 1 . 1 32 32 ASP CA C 13 53.225 0.00 . 1 . . . . A 32 ASP CA . 34696 1 270 . 1 . 1 32 32 ASP CB C 13 40.044 0.00 . 1 . . . . A 32 ASP CB . 34696 1 271 . 1 . 1 33 33 MET H H 1 7.812 0.00 . 1 . . . . A 33 MET H . 34696 1 272 . 1 . 1 33 33 MET HA H 1 5.187 0.00 . 1 . . . . A 33 MET HA . 34696 1 273 . 1 . 1 33 33 MET HB2 H 1 2.330 0.00 . 1 . . . . A 33 MET HB2 . 34696 1 274 . 1 . 1 33 33 MET HB3 H 1 2.114 0.00 . 1 . . . . A 33 MET HB3 . 34696 1 275 . 1 . 1 33 33 MET HG2 H 1 1.473 0.00 . 1 . . . . A 33 MET HG2 . 34696 1 276 . 1 . 1 33 33 MET HG3 H 1 2.330 0.00 . 1 . . . . A 33 MET HG3 . 34696 1 277 . 1 . 1 33 33 MET HE1 H 1 0.624 0.00 . 1 . . . . A 33 MET HE1 . 34696 1 278 . 1 . 1 33 33 MET HE2 H 1 0.624 0.00 . 1 . . . . A 33 MET HE2 . 34696 1 279 . 1 . 1 33 33 MET HE3 H 1 0.624 0.00 . 1 . . . . A 33 MET HE3 . 34696 1 280 . 1 . 1 33 33 MET CA C 13 54.217 0.00 . 1 . . . . A 33 MET CA . 34696 1 281 . 1 . 1 33 33 MET CB C 13 36.446 0.00 . 1 . . . . A 33 MET CB . 34696 1 282 . 1 . 1 33 33 MET CG C 13 29.643 0.00 . 1 . . . . A 33 MET CG . 34696 1 283 . 1 . 1 33 33 MET CE C 13 18.629 0.00 . 1 . . . . A 33 MET CE . 34696 1 284 . 1 . 1 33 33 MET N N 15 118.214 0.00 . 1 . . . . A 33 MET N . 34696 1 285 . 1 . 1 34 34 PHE H H 1 9.402 0.00 . 1 . . . . A 34 PHE H . 34696 1 286 . 1 . 1 34 34 PHE HA H 1 5.629 0.00 . 1 . . . . A 34 PHE HA . 34696 1 287 . 1 . 1 34 34 PHE HB2 H 1 2.915 0.00 . 1 . . . . A 34 PHE HB2 . 34696 1 288 . 1 . 1 34 34 PHE HB3 H 1 2.679 0.00 . 1 . . . . A 34 PHE HB3 . 34696 1 289 . 1 . 1 34 34 PHE HD1 H 1 6.970 0.00 . 3 . . . . A 34 PHE HD1 . 34696 1 290 . 1 . 1 34 34 PHE HD2 H 1 6.970 0.00 . 3 . . . . A 34 PHE HD2 . 34696 1 291 . 1 . 1 34 34 PHE HE1 H 1 6.970 0.00 . 3 . . . . A 34 PHE HE1 . 34696 1 292 . 1 . 1 34 34 PHE HE2 H 1 6.970 0.00 . 3 . . . . A 34 PHE HE2 . 34696 1 293 . 1 . 1 34 34 PHE CA C 13 53.392 0.00 . 1 . . . . A 34 PHE CA . 34696 1 294 . 1 . 1 34 34 PHE CB C 13 42.726 0.00 . 1 . . . . A 34 PHE CB . 34696 1 295 . 1 . 1 34 34 PHE CD1 C 13 132.904 0.00 . 1 . . . . A 34 PHE CD1 . 34696 1 296 . 1 . 1 34 34 PHE CE1 C 13 130.427 0.00 . 1 . . . . A 34 PHE CE1 . 34696 1 297 . 1 . 1 34 34 PHE N N 15 120.111 0.00 . 1 . . . . A 34 PHE N . 34696 1 298 . 1 . 1 35 35 LEU H H 1 7.927 0.00 . 1 . . . . A 35 LEU H . 34696 1 299 . 1 . 1 35 35 LEU HA H 1 3.872 0.00 . 1 . . . . A 35 LEU HA . 34696 1 300 . 1 . 1 35 35 LEU HB2 H 1 1.025 0.00 . 2 . . . . A 35 LEU HB2 . 34696 1 301 . 1 . 1 35 35 LEU HB3 H 1 1.025 0.00 . 2 . . . . A 35 LEU HB3 . 34696 1 302 . 1 . 1 35 35 LEU HD11 H 1 0.479 0.00 . 1 . . . . A 35 LEU HD11 . 34696 1 303 . 1 . 1 35 35 LEU HD12 H 1 0.479 0.00 . 1 . . . . A 35 LEU HD12 . 34696 1 304 . 1 . 1 35 35 LEU HD13 H 1 0.479 0.00 . 1 . . . . A 35 LEU HD13 . 34696 1 305 . 1 . 1 35 35 LEU HD21 H 1 0.701 0.00 . 1 . . . . A 35 LEU HD21 . 34696 1 306 . 1 . 1 35 35 LEU HD22 H 1 0.701 0.00 . 1 . . . . A 35 LEU HD22 . 34696 1 307 . 1 . 1 35 35 LEU HD23 H 1 0.701 0.00 . 1 . . . . A 35 LEU HD23 . 34696 1 308 . 1 . 1 35 35 LEU CA C 13 53.646 0.00 . 1 . . . . A 35 LEU CA . 34696 1 309 . 1 . 1 35 35 LEU CB C 13 40.447 0.00 . 1 . . . . A 35 LEU CB . 34696 1 310 . 1 . 1 35 35 LEU CD1 C 13 26.249 0.00 . 1 . . . . A 35 LEU CD1 . 34696 1 311 . 1 . 1 35 35 LEU CD2 C 13 26.542 0.00 . 1 . . . . A 35 LEU CD2 . 34696 1 312 . 1 . 1 35 35 LEU N N 15 125.827 0.00 . 1 . . . . A 35 LEU N . 34696 1 313 . 1 . 1 36 36 VAL H H 1 8.678 0.00 . 1 . . . . A 36 VAL H . 34696 1 314 . 1 . 1 36 36 VAL HA H 1 5.310 0.00 . 1 . . . . A 36 VAL HA . 34696 1 315 . 1 . 1 36 36 VAL HB H 1 1.745 0.00 . 1 . . . . A 36 VAL HB . 34696 1 316 . 1 . 1 36 36 VAL CA C 13 58.178 0.00 . 1 . . . . A 36 VAL CA . 34696 1 317 . 1 . 1 36 36 VAL CB C 13 35.486 0.00 . 1 . . . . A 36 VAL CB . 34696 1 318 . 1 . 1 36 36 VAL N N 15 119.805 0.00 . 1 . . . . A 36 VAL N . 34696 1 319 . 1 . 1 37 37 SER H H 1 8.075 0.00 . 1 . . . . A 37 SER H . 34696 1 320 . 1 . 1 37 37 SER HB2 H 1 3.709 0.00 . 1 . . . . A 37 SER HB2 . 34696 1 321 . 1 . 1 37 37 SER CA C 13 56.068 0.00 . 1 . . . . A 37 SER CA . 34696 1 322 . 1 . 1 37 37 SER CB C 13 65.974 0.00 . 1 . . . . A 37 SER CB . 34696 1 323 . 1 . 1 37 37 SER N N 15 111.915 0.00 . 1 . . . . A 37 SER N . 34696 1 324 . 1 . 1 39 39 ILE HA H 1 4.276 0.00 . 1 . . . . A 39 ILE HA . 34696 1 325 . 1 . 1 39 39 ILE HB H 1 2.783 0.00 . 1 . . . . A 39 ILE HB . 34696 1 326 . 1 . 1 39 39 ILE CA C 13 57.224 0.00 . 1 . . . . A 39 ILE CA . 34696 1 327 . 1 . 1 39 39 ILE CB C 13 41.542 0.00 . 1 . . . . A 39 ILE CB . 34696 1 328 . 1 . 1 40 40 MET H H 1 8.269 0.00 . 1 . . . . A 40 MET H . 34696 1 329 . 1 . 1 40 40 MET HA H 1 5.018 0.00 . 1 . . . . A 40 MET HA . 34696 1 330 . 1 . 1 40 40 MET HB2 H 1 1.726 0.00 . 2 . . . . A 40 MET HB2 . 34696 1 331 . 1 . 1 40 40 MET HB3 H 1 1.726 0.00 . 2 . . . . A 40 MET HB3 . 34696 1 332 . 1 . 1 40 40 MET CA C 13 54.727 0.00 . 1 . . . . A 40 MET CA . 34696 1 333 . 1 . 1 40 40 MET CB C 13 35.686 0.00 . 1 . . . . A 40 MET CB . 34696 1 334 . 1 . 1 40 40 MET N N 15 118.876 0.00 . 1 . . . . A 40 MET N . 34696 1 335 . 1 . 1 41 41 ALA H H 1 9.560 0.00 . 1 . . . . A 41 ALA H . 34696 1 336 . 1 . 1 41 41 ALA HA H 1 4.990 0.00 . 1 . . . . A 41 ALA HA . 34696 1 337 . 1 . 1 41 41 ALA HB1 H 1 1.413 0.00 . 1 . . . . A 41 ALA HB1 . 34696 1 338 . 1 . 1 41 41 ALA HB2 H 1 1.413 0.00 . 1 . . . . A 41 ALA HB2 . 34696 1 339 . 1 . 1 41 41 ALA HB3 H 1 1.413 0.00 . 1 . . . . A 41 ALA HB3 . 34696 1 340 . 1 . 1 41 41 ALA CA C 13 50.112 0.00 . 1 . . . . A 41 ALA CA . 34696 1 341 . 1 . 1 41 41 ALA CB C 13 22.026 0.00 . 1 . . . . A 41 ALA CB . 34696 1 342 . 1 . 1 41 41 ALA N N 15 129.662 0.00 . 1 . . . . A 41 ALA N . 34696 1 343 . 1 . 1 42 42 TYR H H 1 8.737 0.00 . 1 . . . . A 42 TYR H . 34696 1 344 . 1 . 1 42 42 TYR HA H 1 4.695 0.00 . 1 . . . . A 42 TYR HA . 34696 1 345 . 1 . 1 42 42 TYR HB2 H 1 3.175 0.00 . 1 . . . . A 42 TYR HB2 . 34696 1 346 . 1 . 1 42 42 TYR HB3 H 1 2.697 0.00 . 1 . . . . A 42 TYR HB3 . 34696 1 347 . 1 . 1 42 42 TYR CA C 13 53.378 0.00 . 1 . . . . A 42 TYR CA . 34696 1 348 . 1 . 1 42 42 TYR CB C 13 39.792 0.00 . 1 . . . . A 42 TYR CB . 34696 1 349 . 1 . 1 42 42 TYR N N 15 121.054 0.00 . 1 . . . . A 42 TYR N . 34696 1 350 . 1 . 1 45 45 PHE HA H 1 4.946 0.00 . 1 . . . . A 45 PHE HA . 34696 1 351 . 1 . 1 45 45 PHE HB2 H 1 3.429 0.00 . 2 . . . . A 45 PHE HB2 . 34696 1 352 . 1 . 1 45 45 PHE HB3 H 1 3.429 0.00 . 2 . . . . A 45 PHE HB3 . 34696 1 353 . 1 . 1 45 45 PHE CA C 13 55.525 0.00 . 1 . . . . A 45 PHE CA . 34696 1 354 . 1 . 1 45 45 PHE CB C 13 39.995 0.00 . 1 . . . . A 45 PHE CB . 34696 1 355 . 1 . 1 46 46 TRP H H 1 8.670 0.00 . 1 . . . . A 46 TRP H . 34696 1 356 . 1 . 1 46 46 TRP HA H 1 5.531 0.00 . 1 . . . . A 46 TRP HA . 34696 1 357 . 1 . 1 46 46 TRP HB2 H 1 3.136 0.00 . 2 . . . . A 46 TRP HB2 . 34696 1 358 . 1 . 1 46 46 TRP HB3 H 1 3.136 0.00 . 2 . . . . A 46 TRP HB3 . 34696 1 359 . 1 . 1 46 46 TRP HD1 H 1 7.482 0.00 . 1 . . . . A 46 TRP HD1 . 34696 1 360 . 1 . 1 46 46 TRP HE3 H 1 7.169 0.00 . 1 . . . . A 46 TRP HE3 . 34696 1 361 . 1 . 1 46 46 TRP CA C 13 55.961 0.00 . 1 . . . . A 46 TRP CA . 34696 1 362 . 1 . 1 46 46 TRP CB C 13 30.137 0.00 . 1 . . . . A 46 TRP CB . 34696 1 363 . 1 . 1 46 46 TRP CD1 C 13 128.061 0.00 . 1 . . . . A 46 TRP CD1 . 34696 1 364 . 1 . 1 46 46 TRP CE3 C 13 120.031 0.00 . 1 . . . . A 46 TRP CE3 . 34696 1 365 . 1 . 1 46 46 TRP N N 15 122.141 0.00 . 1 . . . . A 46 TRP N . 34696 1 366 . 1 . 1 47 47 ALA H H 1 9.792 0.00 . 1 . . . . A 47 ALA H . 34696 1 367 . 1 . 1 47 47 ALA HA H 1 5.512 0.00 . 1 . . . . A 47 ALA HA . 34696 1 368 . 1 . 1 47 47 ALA HB1 H 1 1.137 0.00 . 1 . . . . A 47 ALA HB1 . 34696 1 369 . 1 . 1 47 47 ALA HB2 H 1 1.137 0.00 . 1 . . . . A 47 ALA HB2 . 34696 1 370 . 1 . 1 47 47 ALA HB3 H 1 1.137 0.00 . 1 . . . . A 47 ALA HB3 . 34696 1 371 . 1 . 1 47 47 ALA CA C 13 48.715 0.00 . 1 . . . . A 47 ALA CA . 34696 1 372 . 1 . 1 47 47 ALA CB C 13 20.682 0.00 . 1 . . . . A 47 ALA CB . 34696 1 373 . 1 . 1 47 47 ALA N N 15 125.598 0.00 . 1 . . . . A 47 ALA N . 34696 1 374 . 1 . 1 48 48 PRO HA H 1 5.040 0.00 . 1 . . . . A 48 PRO HA . 34696 1 375 . 1 . 1 48 48 PRO HB2 H 1 2.403 0.00 . 2 . . . . A 48 PRO HB2 . 34696 1 376 . 1 . 1 48 48 PRO HB3 H 1 2.403 0.00 . 2 . . . . A 48 PRO HB3 . 34696 1 377 . 1 . 1 48 48 PRO HD3 H 1 3.694 0.00 . 1 . . . . A 48 PRO HD3 . 34696 1 378 . 1 . 1 48 48 PRO CA C 13 62.999 0.00 . 1 . . . . A 48 PRO CA . 34696 1 379 . 1 . 1 48 48 PRO CB C 13 30.600 0.00 . 1 . . . . A 48 PRO CB . 34696 1 380 . 1 . 1 48 48 PRO CD C 13 49.816 0.00 . 1 . . . . A 48 PRO CD . 34696 1 381 . 1 . 1 49 49 VAL H H 1 8.455 0.00 . 1 . . . . A 49 VAL H . 34696 1 382 . 1 . 1 49 49 VAL HA H 1 3.572 0.00 . 1 . . . . A 49 VAL HA . 34696 1 383 . 1 . 1 49 49 VAL HB H 1 1.657 0.00 . 1 . . . . A 49 VAL HB . 34696 1 384 . 1 . 1 49 49 VAL HG21 H 1 0.529 0.00 . 1 . . . . A 49 VAL HG21 . 34696 1 385 . 1 . 1 49 49 VAL HG22 H 1 0.529 0.00 . 1 . . . . A 49 VAL HG22 . 34696 1 386 . 1 . 1 49 49 VAL HG23 H 1 0.529 0.00 . 1 . . . . A 49 VAL HG23 . 34696 1 387 . 1 . 1 49 49 VAL CA C 13 65.741 0.00 . 1 . . . . A 49 VAL CA . 34696 1 388 . 1 . 1 49 49 VAL CB C 13 31.592 0.00 . 1 . . . . A 49 VAL CB . 34696 1 389 . 1 . 1 49 49 VAL CG2 C 13 19.679 0.00 . 1 . . . . A 49 VAL CG2 . 34696 1 390 . 1 . 1 49 49 VAL N N 15 124.904 0.00 . 1 . . . . A 49 VAL N . 34696 1 391 . 1 . 1 50 50 SER H H 1 8.458 0.00 . 1 . . . . A 50 SER H . 34696 1 392 . 1 . 1 50 50 SER HA H 1 4.161 0.00 . 1 . . . . A 50 SER HA . 34696 1 393 . 1 . 1 50 50 SER HB2 H 1 4.047 0.00 . 2 . . . . A 50 SER HB2 . 34696 1 394 . 1 . 1 50 50 SER HB3 H 1 4.047 0.00 . 2 . . . . A 50 SER HB3 . 34696 1 395 . 1 . 1 50 50 SER CA C 13 59.449 0.00 . 1 . . . . A 50 SER CA . 34696 1 396 . 1 . 1 50 50 SER CB C 13 62.588 0.00 . 1 . . . . A 50 SER CB . 34696 1 397 . 1 . 1 50 50 SER N N 15 112.648 0.00 . 1 . . . . A 50 SER N . 34696 1 398 . 1 . 1 51 51 TYR H H 1 7.856 0.00 . 1 . . . . A 51 TYR H . 34696 1 399 . 1 . 1 51 51 TYR HA H 1 4.128 0.00 . 1 . . . . A 51 TYR HA . 34696 1 400 . 1 . 1 51 51 TYR HB2 H 1 2.938 0.00 . 1 . . . . A 51 TYR HB2 . 34696 1 401 . 1 . 1 51 51 TYR HB3 H 1 2.415 0.00 . 1 . . . . A 51 TYR HB3 . 34696 1 402 . 1 . 1 51 51 TYR HD1 H 1 6.140 0.00 . 3 . . . . A 51 TYR HD1 . 34696 1 403 . 1 . 1 51 51 TYR HD2 H 1 6.140 0.00 . 3 . . . . A 51 TYR HD2 . 34696 1 404 . 1 . 1 51 51 TYR HE1 H 1 7.015 0.00 . 3 . . . . A 51 TYR HE1 . 34696 1 405 . 1 . 1 51 51 TYR HE2 H 1 7.015 0.00 . 3 . . . . A 51 TYR HE2 . 34696 1 406 . 1 . 1 51 51 TYR CA C 13 60.479 0.00 . 1 . . . . A 51 TYR CA . 34696 1 407 . 1 . 1 51 51 TYR CB C 13 38.645 0.00 . 1 . . . . A 51 TYR CB . 34696 1 408 . 1 . 1 51 51 TYR CD1 C 13 132.485 0.00 . 1 . . . . A 51 TYR CD1 . 34696 1 409 . 1 . 1 51 51 TYR CE1 C 13 117.934 0.00 . 1 . . . . A 51 TYR CE1 . 34696 1 410 . 1 . 1 51 51 TYR N N 15 123.436 0.00 . 1 . . . . A 51 TYR N . 34696 1 411 . 1 . 1 52 52 PHE H H 1 7.506 0.00 . 1 . . . . A 52 PHE H . 34696 1 412 . 1 . 1 52 52 PHE HA H 1 4.706 0.00 . 1 . . . . A 52 PHE HA . 34696 1 413 . 1 . 1 52 52 PHE HB2 H 1 3.719 0.00 . 1 . . . . A 52 PHE HB2 . 34696 1 414 . 1 . 1 52 52 PHE HB3 H 1 3.462 0.00 . 1 . . . . A 52 PHE HB3 . 34696 1 415 . 1 . 1 52 52 PHE CA C 13 57.514 0.00 . 1 . . . . A 52 PHE CA . 34696 1 416 . 1 . 1 52 52 PHE CB C 13 35.993 0.00 . 1 . . . . A 52 PHE CB . 34696 1 417 . 1 . 1 52 52 PHE N N 15 117.541 0.00 . 1 . . . . A 52 PHE N . 34696 1 418 . 1 . 1 53 53 THR H H 1 7.759 0.00 . 1 . . . . A 53 THR H . 34696 1 419 . 1 . 1 53 53 THR HA H 1 4.157 0.00 . 1 . . . . A 53 THR HA . 34696 1 420 . 1 . 1 53 53 THR HB H 1 4.523 0.00 . 1 . . . . A 53 THR HB . 34696 1 421 . 1 . 1 53 53 THR HG21 H 1 1.381 0.00 . 1 . . . . A 53 THR HG21 . 34696 1 422 . 1 . 1 53 53 THR HG22 H 1 1.381 0.00 . 1 . . . . A 53 THR HG22 . 34696 1 423 . 1 . 1 53 53 THR HG23 H 1 1.381 0.00 . 1 . . . . A 53 THR HG23 . 34696 1 424 . 1 . 1 53 53 THR CA C 13 64.136 0.00 . 1 . . . . A 53 THR CA . 34696 1 425 . 1 . 1 53 53 THR CB C 13 68.420 0.00 . 1 . . . . A 53 THR CB . 34696 1 426 . 1 . 1 53 53 THR CG2 C 13 21.561 0.00 . 1 . . . . A 53 THR CG2 . 34696 1 427 . 1 . 1 53 53 THR N N 15 112.379 0.00 . 1 . . . . A 53 THR N . 34696 1 428 . 1 . 1 54 54 GLU H H 1 7.724 0.00 . 1 . . . . A 54 GLU H . 34696 1 429 . 1 . 1 54 54 GLU HA H 1 4.612 0.00 . 1 . . . . A 54 GLU HA . 34696 1 430 . 1 . 1 54 54 GLU HB2 H 1 2.465 0.00 . 1 . . . . A 54 GLU HB2 . 34696 1 431 . 1 . 1 54 54 GLU HB3 H 1 1.610 0.00 . 1 . . . . A 54 GLU HB3 . 34696 1 432 . 1 . 1 54 54 GLU HG3 H 1 1.922 0.00 . 1 . . . . A 54 GLU HG3 . 34696 1 433 . 1 . 1 54 54 GLU CA C 13 54.197 0.00 . 1 . . . . A 54 GLU CA . 34696 1 434 . 1 . 1 54 54 GLU CB C 13 28.850 0.00 . 1 . . . . A 54 GLU CB . 34696 1 435 . 1 . 1 54 54 GLU CG C 13 33.047 0.00 . 1 . . . . A 54 GLU CG . 34696 1 436 . 1 . 1 54 54 GLU N N 15 117.667 0.00 . 1 . . . . A 54 GLU N . 34696 1 437 . 1 . 1 55 55 GLY H H 1 7.726 0.00 . 1 . . . . A 55 GLY H . 34696 1 438 . 1 . 1 55 55 GLY HA2 H 1 4.884 0.00 . 1 . . . . A 55 GLY HA2 . 34696 1 439 . 1 . 1 55 55 GLY HA3 H 1 4.111 0.00 . 1 . . . . A 55 GLY HA3 . 34696 1 440 . 1 . 1 55 55 GLY CA C 13 44.284 0.00 . 1 . . . . A 55 GLY CA . 34696 1 441 . 1 . 1 55 55 GLY N N 15 107.683 0.00 . 1 . . . . A 55 GLY N . 34696 1 442 . 1 . 1 56 56 ASN H H 1 8.692 0.00 . 1 . . . . A 56 ASN H . 34696 1 443 . 1 . 1 56 56 ASN HA H 1 5.427 0.00 . 1 . . . . A 56 ASN HA . 34696 1 444 . 1 . 1 56 56 ASN HB2 H 1 3.155 0.00 . 1 . . . . A 56 ASN HB2 . 34696 1 445 . 1 . 1 56 56 ASN HB3 H 1 2.967 0.00 . 1 . . . . A 56 ASN HB3 . 34696 1 446 . 1 . 1 56 56 ASN HD21 H 1 7.392 0.00 . 1 . . . . A 56 ASN HD21 . 34696 1 447 . 1 . 1 56 56 ASN HD22 H 1 8.489 0.00 . 1 . . . . A 56 ASN HD22 . 34696 1 448 . 1 . 1 56 56 ASN CA C 13 53.806 0.00 . 1 . . . . A 56 ASN CA . 34696 1 449 . 1 . 1 56 56 ASN CB C 13 42.039 0.00 . 1 . . . . A 56 ASN CB . 34696 1 450 . 1 . 1 56 56 ASN N N 15 111.710 0.00 . 1 . . . . A 56 ASN N . 34696 1 451 . 1 . 1 56 56 ASN ND2 N 15 118.134 0.00 . 1 . . . . A 56 ASN ND2 . 34696 1 452 . 1 . 1 57 57 THR H H 1 9.125 0.00 . 1 . . . . A 57 THR H . 34696 1 453 . 1 . 1 57 57 THR HA H 1 5.062 0.00 . 1 . . . . A 57 THR HA . 34696 1 454 . 1 . 1 57 57 THR HB H 1 5.382 0.00 . 1 . . . . A 57 THR HB . 34696 1 455 . 1 . 1 57 57 THR HG21 H 1 1.348 0.00 . 1 . . . . A 57 THR HG21 . 34696 1 456 . 1 . 1 57 57 THR HG22 H 1 1.348 0.00 . 1 . . . . A 57 THR HG22 . 34696 1 457 . 1 . 1 57 57 THR HG23 H 1 1.348 0.00 . 1 . . . . A 57 THR HG23 . 34696 1 458 . 1 . 1 57 57 THR CA C 13 60.353 0.00 . 1 . . . . A 57 THR CA . 34696 1 459 . 1 . 1 57 57 THR CB C 13 67.732 0.00 . 1 . . . . A 57 THR CB . 34696 1 460 . 1 . 1 57 57 THR CG2 C 13 22.593 0.00 . 1 . . . . A 57 THR CG2 . 34696 1 461 . 1 . 1 57 57 THR N N 15 111.705 0.00 . 1 . . . . A 57 THR N . 34696 1 462 . 1 . 1 58 58 CYS H H 1 8.994 0.00 . 1 . . . . A 58 CYS H . 34696 1 463 . 1 . 1 58 58 CYS HA H 1 4.367 0.00 . 1 . . . . A 58 CYS HA . 34696 1 464 . 1 . 1 58 58 CYS HB2 H 1 3.498 0.00 . 1 . . . . A 58 CYS HB2 . 34696 1 465 . 1 . 1 58 58 CYS HB3 H 1 3.074 0.00 . 1 . . . . A 58 CYS HB3 . 34696 1 466 . 1 . 1 58 58 CYS CA C 13 55.608 0.00 . 1 . . . . A 58 CYS CA . 34696 1 467 . 1 . 1 58 58 CYS CB C 13 44.211 0.00 . 1 . . . . A 58 CYS CB . 34696 1 468 . 1 . 1 58 58 CYS N N 15 118.640 0.00 . 1 . . . . A 58 CYS N . 34696 1 469 . 1 . 1 59 59 GLU H H 1 8.609 0.00 . 1 . . . . A 59 GLU H . 34696 1 470 . 1 . 1 59 59 GLU HA H 1 4.215 0.00 . 1 . . . . A 59 GLU HA . 34696 1 471 . 1 . 1 59 59 GLU HB2 H 1 2.117 0.00 . 2 . . . . A 59 GLU HB2 . 34696 1 472 . 1 . 1 59 59 GLU HB3 H 1 2.117 0.00 . 2 . . . . A 59 GLU HB3 . 34696 1 473 . 1 . 1 59 59 GLU CA C 13 58.939 0.00 . 1 . . . . A 59 GLU CA . 34696 1 474 . 1 . 1 59 59 GLU CB C 13 28.328 0.00 . 1 . . . . A 59 GLU CB . 34696 1 475 . 1 . 1 59 59 GLU N N 15 126.030 0.00 . 1 . . . . A 59 GLU N . 34696 1 476 . 1 . 1 60 60 GLY H H 1 8.933 0.00 . 1 . . . . A 60 GLY H . 34696 1 477 . 1 . 1 60 60 GLY HA2 H 1 4.022 0.00 . 1 . . . . A 60 GLY HA2 . 34696 1 478 . 1 . 1 60 60 GLY HA3 H 1 4.209 0.00 . 1 . . . . A 60 GLY HA3 . 34696 1 479 . 1 . 1 60 60 GLY CA C 13 44.971 0.00 . 1 . . . . A 60 GLY CA . 34696 1 480 . 1 . 1 60 60 GLY N N 15 114.774 0.00 . 1 . . . . A 60 GLY N . 34696 1 481 . 1 . 1 61 61 VAL H H 1 7.657 0.00 . 1 . . . . A 61 VAL H . 34696 1 482 . 1 . 1 61 61 VAL HA H 1 3.754 0.00 . 1 . . . . A 61 VAL HA . 34696 1 483 . 1 . 1 61 61 VAL HB H 1 1.699 0.00 . 1 . . . . A 61 VAL HB . 34696 1 484 . 1 . 1 61 61 VAL HG11 H 1 0.674 0.00 . 1 . . . . A 61 VAL HG11 . 34696 1 485 . 1 . 1 61 61 VAL HG12 H 1 0.674 0.00 . 1 . . . . A 61 VAL HG12 . 34696 1 486 . 1 . 1 61 61 VAL HG13 H 1 0.674 0.00 . 1 . . . . A 61 VAL HG13 . 34696 1 487 . 1 . 1 61 61 VAL CA C 13 63.901 0.00 . 1 . . . . A 61 VAL CA . 34696 1 488 . 1 . 1 61 61 VAL CB C 13 32.351 0.00 . 1 . . . . A 61 VAL CB . 34696 1 489 . 1 . 1 61 61 VAL CG1 C 13 21.958 0.00 . 1 . . . . A 61 VAL CG1 . 34696 1 490 . 1 . 1 61 61 VAL N N 15 120.045 0.00 . 1 . . . . A 61 VAL N . 34696 1 491 . 1 . 1 62 62 PHE H H 1 7.206 0.00 . 1 . . . . A 62 PHE H . 34696 1 492 . 1 . 1 62 62 PHE HA H 1 4.712 0.00 . 1 . . . . A 62 PHE HA . 34696 1 493 . 1 . 1 62 62 PHE HB2 H 1 3.521 0.00 . 1 . . . . A 62 PHE HB2 . 34696 1 494 . 1 . 1 62 62 PHE HB3 H 1 2.861 0.00 . 1 . . . . A 62 PHE HB3 . 34696 1 495 . 1 . 1 62 62 PHE HD1 H 1 7.480 0.00 . 3 . . . . A 62 PHE HD1 . 34696 1 496 . 1 . 1 62 62 PHE HD2 H 1 7.480 0.00 . 3 . . . . A 62 PHE HD2 . 34696 1 497 . 1 . 1 62 62 PHE HZ H 1 7.474 0.00 . 1 . . . . A 62 PHE HZ . 34696 1 498 . 1 . 1 62 62 PHE CA C 13 58.409 0.00 . 1 . . . . A 62 PHE CA . 34696 1 499 . 1 . 1 62 62 PHE CB C 13 40.731 0.00 . 1 . . . . A 62 PHE CB . 34696 1 500 . 1 . 1 62 62 PHE CD1 C 13 132.194 0.00 . 1 . . . . A 62 PHE CD1 . 34696 1 501 . 1 . 1 62 62 PHE CZ C 13 129.960 0.00 . 1 . . . . A 62 PHE CZ . 34696 1 502 . 1 . 1 62 62 PHE N N 15 122.644 0.00 . 1 . . . . A 62 PHE N . 34696 1 stop_ save_